SCHEMBL20113146

SCHEMBL20113146

CSC1=CCC(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CES2 O00748 2/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
TRPV3 Q8NET8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13248079 0.74 LMNA (0.62) LMNACES2CCNT1CDK9TRPV3
SCHEMBL13906350 0.73 TBK1 (0.37) LMNACCNT1CDK9TRPV3
SCHEMBL24783009 0.71 LMNA (0.40) LMNACES2TRPV3
SCHEMBL12603760 0.71 TRPV3 (0.38) LMNACES2CCNT1CDK9TRPV3
SCHEMBL13370662 0.69 NOS3 (0.35) LMNACES2
SCHEMBL14838698 0.69
SCHEMBL9845773 0.69 LMNA (0.34) LMNACES2
SCHEMBL12519550 0.69 LMNA (0.38) LMNACES2TRPV3
SCHEMBL16647717 0.69 CES2 (0.47) LMNACES2TRPV3
SCHEMBL6360983 0.69 LMNA (0.35) LMNACES2CCNT1CDK9TRPV3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226629-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. (US) 2021-11-11 WO disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3964/4885CES2 967/4885CCNT1 3563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.